| SpectraBase Compound ID | Vcc3xgX1KA |
|---|---|
| InChI | InChI=1S/C26H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h10-11H,3-9,12-25H2,1-2H3/b11-10- |
| InChIKey | AJDUFRFMJJKBAV-KHPPLWFESA-N |
| Mol Weight | 394.7 g/mol |
| Molecular Formula | C26H50O2 |
| Exact Mass | 394.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YaMxMdkgf |
|---|---|
| Name | Methyl 16-pentacosenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.381080848 u |
| Formula | C26H50O2 |
| InChI | InChI=1S/C26H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h10-11H,3-9,12-25H2,1-2H3/b11-10- |
| InChIKey | AJDUFRFMJJKBAV-KHPPLWFESA-N |
| Molecular Weight | 394.684 g/mol |
| SMILES | C(CCCCCCCCCCC\C=C/CCCCCCCC)CCC(=O)OC |